PM7 Accuracy

2,3-naphthalenediol   1173 2,3-Naphthalenediol

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    #  Species Formula
  1163 2,6-Dimethylbenzoic acidC9H10O2
  1164 2-Ethylbenzoic acidC9H10O2
  1165 3,4-Dimethylbenzoic acidC9H10O2
  1166 3,5-Dimethylbenzoic acidC9H10O2
  1167 3-Ethylbenzoic acidC9H10O2
  1168 4-Ethylbenzoic acidC9H10O2
  1169 Methyl 4-methylbenzoateC9H10O2
  1170 1,2-NaphthalenediolC10H8O2
  1171 1,3-NaphthalenediolC10H8O2
  1172 1,4-NaphthalenediolC10H8O2
  1173 2,3-Naphthalenediol C10H8O2
  1174 1-Phenyl-1,3-butanedioneC10H10O2
  1175 2,3,4-Trimethylbenzoic acidC10H12O2
  1176 2,3,5-Trimethylbenzoic acidC10H12O2
  1177 2,3,6-Trimethylbenzoic acidC10H12O2
  1178 2,4,5-Trimethylbenzoic acidC10H12O2
  1179 2,4,6-Trimethylbenzoic acidC10H12O2
  1180 2-Isopropyl benzoic acidC10H12O2
  1181 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1182 3,4,5-Trimethylbenzoic acidC10H12O2
  1183 3-Isopropyl benzoic acidC10H12O2


DHf: -46.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2,3-Naphthalenediol
 H=-46.08 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37382045  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41402860  1  120.2672989  1    0.0000000  0     2     1     0
  C     1.37385364  1  120.3061564  1    0.0058382  1     3     2     1
  C     1.41855079  1  120.4343331  1    0.0019812  1     4     3     2
  C     1.41264160  1  119.2613534  1   -0.0073883  1     5     4     3
  C     1.42571458  1  119.7339922  1  179.9978932  1     6     5     4
  C     1.36886466  1  119.7969085  1   -0.0036282  1     7     6     5
  C     1.43714376  1  120.4662130  1    0.0012189  1     8     7     6
  C     1.36891758  1  120.5130072  1    0.0001855  1     9     8     7
  O     1.35507844  1  124.1669937  1  179.9991572  1     8     7     9
  O     1.35513319  1  115.3302285  1 -179.9985114  1     9     8    10
  H     1.08822627  1  120.6844375  1  179.9993951  1     1     2     3
  H     1.08793934  1  120.7174577  1  179.9994985  1     2     1     3
  H     1.08799391  1  118.9946002  1 -179.9984088  1     3     2     4
  H     1.08821192  1  120.7022552  1  179.9983154  1     4     3     5
  H     1.08582166  1  118.8055050  1 -179.9996047  1     7     6     8
  H     1.08581146  1  121.4057879  1 -179.9954383  1    10     9     8
  H     0.99183666  1  111.2850139  1    0.0063230  1    11     8     7
  H     0.99184084  1  111.2964450  1  179.9999168  1    12     9     8